General Information of the Compound
| Compound ID |
CP0526899
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| Compound Name |
CHEMBL4641214
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| Formula |
C28H33Cl2N5O3
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| Molecular Weight |
558.51
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| Canonical SMILES |
CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C28H33Cl2N5O3/c1-34(2)16-17-3-5-19(6-4-17)32-25-20(28(37)35-9-11-38-12-10-35)15-31-24-8-7-23(33-26(24)25)18-13-21(29)27(36)22(30)14-18/h7-8,13-15,17,19,36H,3-6,9-12,16H2,1-2H3,(H,31,32)/t17-,19-
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| InChIKey |
JLXBMSUCEYTHDK-UAPYVXQJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound